(R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl)benzonitrile

HCID 53258442
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Basic information

Standard SMILES
Cc1nnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
InChIKey
URMGQZPVHXMFQO-OAHLLOKOSA-N
Molecular formula
C17H20N6O
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
(R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl)benzonitrile
IUPAC
2-[[3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl]benzonitrile

Names & synonyms

SCHEMBL2027763URMGQZPVHXMFQO-OAHLLOKOSA-N(R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl)benzonitrile

Database identifiers

PubChem CID
53258442

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
98.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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